(3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol

C22H15Cl3N2O — CID 118022478

IUPAC(3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol
SMILESCc1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl
InChIInChI=1S/C22H15Cl3N2O/c1-13-20(24)18-11-15(7-8-19(18)27-21(13)25)22(28,16-5-3-9-26-12-16)14-4-2-6-17(23)10-14/h2-12,28H,1H3
InChIKeyQEFLGACJGNZBAM-UHFFFAOYSA-N
MW429.73 g/mol
LogP6.18
Rot. Bonds3

About (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol

(3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol (PubChem CID 118022478) has the molecular formula C22H15Cl3N2O and a molecular weight of 429.73 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol
PubChem CID118022478
Molecular FormulaC22H15Cl3N2O
Molecular Weight429.73 g/mol
Exact Mass428.02
IUPAC Name(3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol
SMILESCc1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl
InChIInChI=1S/C22H15Cl3N2O/c1-13-20(24)18-11-15(7-8-19(18)27-21(13)25)22(28,16-5-3-9-26-12-16)14-4-2-6-17(23)10-14/h2-12,28H,1H3
InChIKeyQEFLGACJGNZBAM-UHFFFAOYSA-N
XLogP6.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol?
The IUPAC name of (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol (CID 118022478) is (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol is Cc1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.
What is the InChIKey of (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol?
The InChIKey is QEFLGACJGNZBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O/c1-13-20(24)18-11-15(7-8-19(18)27-21(13)25)22(28,16-5-3-9-26-12-16)14-4-2-6-17(23)10-14/h2-12,28H,1H3.
What are the key properties of (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol?
(3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol has a molecular weight of 429.73 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,4-dichloro-3-methylquinolin-6-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 118022478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).